Sugi Predict

Sugi Predict / Compounds / SCHEMBL443438

SCHEMBL443438

SCHEMBL443438

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@@](O)([Se]C)[C@@H]2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 2/20 0.37
▸ P2RY2 P41231 4/20 0.35
▸ DUT P33316 3/20 0.35
▸ P2RY4 P51582 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ P2RY6 Q15077 2/20 0.35
▸ TYMP P19971 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ SLC28A1 O00337 1/20 0.32
▸ SLC28A2 O43868 1/20 0.32
▸ SLC29A1 Q99808 1/20 0.32
▸ SLC28A3 Q9HAS3 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL443437 0.88 DUT (0.35) P2RY2DUTP2RY4CYP3A4CYP2C9
SCHEMBL20603109 0.88 P2RY14 (0.38) P2RY14P2RY2DUTP2RY4CYP3A4
SCHEMBL442715 0.81 P2RY14 (0.48) P2RY14P2RY2P2RY4P2RY6SLC28A1
SCHEMBL6272749 0.81 CYP3A4 (0.38) P2RY14P2RY2DUTP2RY4CYP3A4
SCHEMBL2114483 0.79 DUT (0.52) P2RY14P2RY2DUTP2RY6SLC28A1
SCHEMBL8538694 0.78 P2RY14 (0.44) P2RY14P2RY2P2RY4P2RY6SLC28A1
SCHEMBL8210384 0.78 P2RY14 (0.44) P2RY14P2RY2P2RY4P2RY6SLC28A1
SCHEMBL6832098 0.78 P2RY14 (0.44) P2RY14P2RY2P2RY4P2RY6SLC28A1
SCHEMBL8970268 0.78 P2RY14 (0.46) P2RY14P2RY2P2RY4P2RY6SLC28A1
SCHEMBL9174054 0.78 P2RY14 (0.35) P2RY14P2RY2DUTP2RY4CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354524-B2 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-01-15 — — US disclosed
US-20120065387-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2012-03-15 — — US disclosed
US-7982030-B2 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-07-19 — — US disclosed
US-20100137573-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-06-03 — — US disclosed
US-7592446-B2 Useful in structural determinations, particularly by X-ray crystallographic techniques; useful as food supplements GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-09-22 — — US disclosed
US-20030055016-A1 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-03-20 — — US disclosed
WO-2002077002-A2 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2002-10-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030055016-A1 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids SELENOI, NT5C3B, RNGTT P2RY14 453/4885P2RY2 855/4885DUT 41/4885
US-20100137573-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS SELENOI, RNGTT, NT5C3B P2RY14 465/4885P2RY2 964/4885DUT 37/4885
US-20120065387-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS SELENOI, RNGTT, NT5C3B P2RY14 465/4885P2RY2 964/4885DUT 37/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.